Geometry & MOs

Info

ID:	148599
PubChem CID:	53788267
Reduced:	NOH16C20 (1)
Stoich.:	ABC16D20 (1)
Weight, g/mol:	185.157978
ΔH_f, kcal/mol:	72.86
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.262858
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C2C=CC=C(C2=CC3=CC=CC=C13)C4=CC=[N+](C=C4)O

DOS

IR

Vibrations